SCHEMBL4469664

SCHEMBL4469664

CCCn1c(C)cc(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
PDE4A P27815 5/20 0.41
ADORA2A P29274 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 3/20 0.41
ADORA1 P30542 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM1A O60341 1/20 0.40
KMT2A Q03164 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1702029 0.89 MAPT (0.45) KDM4EALDH1A1MAPTPDE4AADORA2A
SCHEMBL4960409 0.84 POLB (0.46) KDM4EALDH1A1SMN1; SMN2MAPTPDE4A
SCHEMBL18072360 0.83 HSD17B10 (0.53) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL7835947 0.80 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2MAPTPDE4A
SCHEMBL1946240 0.79 KMT2A (0.61) KDM4EALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL5742355 0.79 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL8768819 0.78 TYMP (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL27385314 0.77 ATM (0.43) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL29776965 0.76 B3GNT2 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTPDE4A
SCHEMBL6027678 0.74 TYMP (0.46) KDM4EALDH1A1KMT2AMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 WO disclosed
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
WO-2008027585-A2 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-03-06 WO disclosed
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADORA2B, ADORA2A, ADORA3 KDM4E 2977/4885USP2 4367/4885ALDH1A1 1050/4885
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA3 KDM4E 3826/4885USP2 4308/4885ALDH1A1 1180/4885
US-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R KDM4E 1514/4885USP2 4712/4885ALDH1A1 3942/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.